ethyl 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxylate Openeye Name: ethyl 3-methyl-5-(3-methylbutanoylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-[(3-methyl-1-oxobutyl)amino]-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxylate Traditional Name: 5-(isovalerylamino)-3-methyl-isothiazole-4-carboxylic acid ethyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1C)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SN=C1C)NC(=O)CC(C)C

InChI

InChI=1S/C12H18N2O3S/c1-5-17-12(16)10-8(4)14-18-11(10)13-9(15)6-7(2)3/h7H,5-6H2,1-4H3,(H,13,15)